RbNaPu2Br8
Alexandria ALEXAlex-ID: agm004907971 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_299_spg10
Rb2NaPuBr6 PuBr3 NaBr
2023-01-01 22:23:12.330201
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004907971).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm004907971
data_agm004907971
_cell_length_a 7.34196
_cell_length_b 7.13426
_cell_length_c 8.97499
_cell_angle_alpha 89.98028
_cell_angle_beta 89.98710
_cell_angle_gamma 85.29792
_cell_volume 468.52280
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Rb1 Rb 0.00000 0.00000 0.50000 1.00000
Na1 Na 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.50002 0.50001 0.75588 1.00000
Pu2 Pu 0.49998 0.49999 0.24412 1.00000
Br1 Br 0.17111 0.73354 0.22473 1.00000
Br2 Br 0.63637 0.72139 0.99993 1.00000
Br3 Br 0.82878 0.26633 0.22462 1.00000
Br4 Br 0.82889 0.26646 0.77527 1.00000
Br5 Br 0.36363 0.27861 0.00007 1.00000
Br6 Br 0.17122 0.73367 0.77538 1.00000
Br7 Br 0.62216 0.71653 0.49989 1.00000
Br8 Br 0.37784 0.28347 0.50011 1.00000
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